A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
☆31Jul 11, 2025Updated 9 months ago
Alternatives and similar repositories for qha
Users that are interested in qha are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Semiemperical quasiharmonic thermal elasticity☆21Dec 10, 2025Updated 4 months ago
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆17Sep 6, 2023Updated 2 years ago
- Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community☆29Apr 30, 2026Updated last week
- A Julia wrapper for the spglib C-API☆24Apr 20, 2026Updated 2 weeks ago
- ☆26Mar 27, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 6 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- A phonon irreducible representations calculator☆23Apr 11, 2024Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Multi-collinear functional☆10Feb 12, 2026Updated 2 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆18Apr 30, 2026Updated last week
- WanTiBEXOS code repository☆17Apr 1, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago